CID 165685729

2104438-97-1

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC1=CN=C(C=C1)C(=O)CC(=O)OC
InChI
InChI=1S/C10H11NO4/c1-14-7-3-4-8(11-6-7)9(12)5-10(13)15-2/h3-4,6H,5H2,1-2H3
InChIKey
KUTOTNVJSIZGQT-UHFFFAOYSA-N
Compound name
methyl 3-(5-methoxypyridin-2-yl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.3
[M+Na]+ 232.05802 150.1
[M-H]- 208.06152 144.8
[M+NH4]+ 227.10262 159.7
[M+K]+ 248.03196 149.8
[M+H-H2O]+ 192.06606 135.4
[M+HCOO]- 254.06700 164.6
[M+CH3COO]- 268.08265 185.5
[M+Na-2H]- 230.04347 147.0
[M]+ 209.06825 146.5
[M]- 209.06935 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.